相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。New potential stable structures of XMgn (X = Ge, C, Sn; n=2-12) clusters: XMg8 with high stability
Lu Zeng et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2021)
Systematic investigation of geometric structures and electronic properties of lithium doped magnesium clusters
Chenggang Li et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
Growth mechanism and electronic and magnetic properties of AgnTi alloy clusters
Li Lai et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2021)
A density functional investigation on the structures, electronic, spectral and fluxional properties of VB20- cluster
Chenggang Li et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Probing the structural and electronic properties of neutral and anionic strontium-doped magnesium clusters
Qing Yang Li et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
Structural and electronic properties of neutral and anionic magnesium clusters doped with two barium atoms
Qing Yang Li et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Structural and electronic properties of medium-sized beryllium doped magnesium BeMgn clusters and their anions
Yaru Zhao et al.
RESULTS IN PHYSICS (2021)
The effect of silicon doping on the geometrical structures, stability, and electronic and spectral properties of magnesium clusters: DFT study of SiMgn (n=1-12) clusters
Ben-Chao Zhu et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2020)
The ground-state structure, optical-absorption and photoelectron spectrum of silver clusters
Dong Die et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2020)
Probing the structural evolution and electronic properties of divalent metal Be2Mgn clusters from small to medium-size
Feige Zhang et al.
SCIENTIFIC REPORTS (2020)
Elucidating Stress-Strain Relations of ZrB12 from First-Principles Studies
Cheng Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Probing on the Stable Structure of Silicon-Doped Charged Magnesium Nanomaterial Sensor: SiMgn±1(N=2-12) Clusters DFT Study
Lu Zeng et al.
FRONTIERS IN MATERIALS (2020)
Probing the structural evolution, electronic and spectral properties of beryllium doped magnesium and its ion clusters
Lu Zeng et al.
NEW JOURNAL OF CHEMISTRY (2020)
Analysis of the structures, stabilities and electronic properties of MB16- (M = V, Cr, Mn, Fe, Co, Ni) clusters and assemblies
Cheng-Gang Li et al.
NEW JOURNAL OF CHEMISTRY (2020)
Structures, stabilities and electronic properties of boron-doped silicon clusters B3Sin (n=1-17) and their anions
Cheng-Gang Li et al.
MOLECULAR PHYSICS (2019)
Structural and Electronic Properties of Medium-Sized Aluminum-Doped Boron Clusters AlBn and Their Anions
Siyu Jin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Probing the Structural and Electronic Properties of Neutral and Anionic Lanthanum-Doped Silicon Clusters
Ya Ru Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12- Cluster
Bo Le Chen et al.
INORGANIC CHEMISTRY (2018)
First-principles calculations on small MgnZn and Mgn-1Zn2 clusters: Structures, stability, electronic properties
Zhi Li et al.
MATERIALS CHEMISTRY AND PHYSICS (2017)
Electronic and Magnetic Properties of Small RhnCa (n=1-9) Clusters: A DFT Study
Abdelhamid Soltani et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
Study of adsorption and dissociation pathway of H2 molecule on MgnRh (n=1-10) clusters: A first principle investigation
Ravi Trivedi et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)
Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster
Xinxin Xia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0,±1, n=1-7
Kaining Duanmu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Thermodynamics of Metal Nanoparticles: Energies and Enthalpies of Formation of Magnesium Clusters and Nanoparticles as Large as 1.3 nm
Kaining Duanmu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Spin and orbital magnetism in XMg8(X = Sc-Ni): a relativistic density functional theory study
M. Afshar et al.
MOLECULAR PHYSICS (2016)
Probing the low-energy structures of aluminum-magnesium alloy clusters: a detailed study
Xiaodong Xing et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Hydrogen storage in small size MgnCo clusters: A density functional study
Ravi Trivedi et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2015)
Density functional theory study of small X-doped Mgn ( X = Fe, Co, Ni, n=1-9) bimetallic clusters: equilibrium structures, stabilities, electronic and magnetic properties
Fanjie Kong et al.
JOURNAL OF MOLECULAR MODELING (2014)
First-principles prediction of magnetic superatoms in 4d-transition-metal-doped magnesium clusters
Gui-Xian Ge et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
CALYPSO: A method for crystal structure prediction
Yanchao Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Metallic and molecular orbital concepts in XMg8 clusters, X = Be-F
Victor M. Medel et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Particle-swarm structure prediction on clusters
Jian Lv et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Improved Parametrization of Li+, Na+, K+, and Mg2+ Ions for All-Atom Molecular Dynamics Simulations of Nucleic Acid Systems
Jejoong Yoo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Structure of Mgn and Mg n + clusters up to n=30
S. Janecek et al.
EUROPEAN PHYSICAL JOURNAL D (2011)
Growth and Structural Properties of MgN (N=10-56) Clusters: Density Functional Theory Study
Ideh Heidari et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Hund's rule in superatoms with transition metal impurities
Victor M. Medel et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
The van der Waals potential of the magnesium dimer
P. Li et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Crystal structure prediction via particle-swarm optimization
Yanchao Wang et al.
PHYSICAL REVIEW B (2010)
Weight Loss with Magnesium Alloys
Tresa M. Pollock
SCIENCE (2010)
Texture and microstructure changes in asymmetrically hot rolled AZ31 magnesium alloy sheets
SH Kim et al.
MATERIALS LETTERS (2005)
Diatomic molecule data for parametric methods.: I
F Ruette et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2005)
Comparative study of the electron affinities of beryllium and magnesium dimers and trimers
IG Kaplan et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Evolution of the electronic and ionic structure of Mg clusters with increase in cluster size
A Lyalin et al.
PHYSICAL REVIEW A (2003)
Electron binding energies of anionic magnesium clusters and the nonmetal-to-metal transition
PH Acioli et al.
PHYSICAL REVIEW LETTERS (2002)
Onset of metallic behavior in magnesium clusters
OC Thomas et al.
PHYSICAL REVIEW LETTERS (2002)
Magnesium clusters: Structural and electronic properties and the size-induced nonmetal-to-metal transition
J Jellinek et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Metallic evolution of small magnesium clusters
J Akola et al.
EUROPEAN PHYSICAL JOURNAL D (2001)
Electron delocalization in magnesium clusters grown in supercold helium droplets
T Diederich et al.
PHYSICAL REVIEW LETTERS (2001)
Theoretical study on clusters of magnesium
A Kohn et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)